CID 68738428

[3-(5-bromopyridin-3-yl)phenyl]methanol

Structural Information

Molecular Formula

C₁₂H₁₀BrNO

SMILES

C1=CC(=CC(=C1)C2=CC(=CN=C2)Br)CO

InChI

InChI=1S/C12H10BrNO/c13-12-5-11(6-14-7-12)10-3-1-2-9(4-10)8-15/h1-7,15H,8H2

InChIKey

USQIWDREAPHQNK-UHFFFAOYSA-N

Compound name

[3-(5-bromo-3-pyridinyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 262.99457 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.001846	148.7
[M+Na]+	285.983788	160.3
[M-H]-	261.987294	155.6
[M+NH4]+	281.028393	167.2
[M+K]+	301.957728	148.2
[M+H-H2O]+	245.991830	147.9
[M+HCOO]-	307.992771	168.8
[M+CH3COO]-	322.008421	163.1
[M+Na-2H]-	283.969236	156.9
[M]+	262.99402142	166.7
[M]-	262.99511858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe